CH3OCH2I rs Hayashi et al (1995)
Z-Matrix derived from rs coordinates
0 1
I
C 1 B1
O 2 B2 1 A1
C 3 B3 2 A2 1 D1
H 2 B4 1 A3 3 D2
H 2 B5 1 A4 3 D3
H 4 B6 3 A5 2 D4
H 4 B7 3 A6 2 D5
H 4 B8 3 A7 2 D6
B1 2.19683864
B2 1.37456962
B3 1.42022431
B4 1.09894116
B5 1.07587267
B6 1.08351591
B7 1.12127673
B8 1.09781078
A1 113.62780513
A2 114.16535737
A3 102.88970939
A4 104.48871614
A5 106.64574443
A6 110.57402241
A7 110.04059045
D1 -72.08732519
D2 -122.75020539
D3 119.32420133
D4 -175.37137308
D5 62.47719450
D6 -56.15284174
1,2,3,4,5,6,7,8,9,0
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C H O 0
6-311G(df,p)
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@/users/bill/Bases/6-311G(df)/I.gbs/N
